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ulipristal acetate

Properties

Image

Occurences in reactions

MNX_ID

MNXM113808

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₃₀H₃₇NO₄

charge

mass

475.27226

reference

chebi:71025

InChIKey

OOLLAFOLCSJHRE-ZHAKMVSLSA-N

InChI

InChI=1S/C30H37NO4/c1-18(32)30(35-19(2)33)15-14-27-25-12-8-21-16-23(34)11-13-24(21)28(25)26(17-29(27,30)3)20-6-9-22(10-7-20)31(4)5/h6-7,9-10,16,25-27H,8,11-15,17H2,1-5H3/t25-,26+,27-,29-,30-/m0/s1

SMILES

CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:71025 chebi:71025	ulipristal acetate (11beta,17alpha)-17-acetyl-11-[4-(dimethylamino)phenyl]-3-oxoestra-4,9-dien-17-yl acetate 17-Acetoxy-11-(4-N,N-dimethylaminophenyl)pregna-4,9-diene-3,20-dione 17beta-acetyl-11beta-[4-(dimethylamino)phenyl]-3-oxoestra-4,9-dien-17alpha-yl acetate CDB 2914 Ella
kegg.drug:D09687 keggD:D09687	Ulipristal acetate (JAN/USAN) Ella (TN)
keggD:M_D09687	secondary/obsolete/fantasy identifier